2-[(2S)-1-(cyclopropylmethyl)-4-(6-methyl-2-propylpyrimidin-4-yl)piperazin-2-yl]ethanol

C18H30N4O — CID 98741245

IUPAC2-[(2S)-1-(cyclopropylmethyl)-4-(6-methyl-2-propylpyrimidin-4-yl)piperazin-2-yl]ethanol
SMILESCCCc1nc(C)cc(N2CCN(CC3CC3)[C@@H](CCO)C2)n1
InChIInChI=1S/C18H30N4O/c1-3-4-17-19-14(2)11-18(20-17)22-9-8-21(12-15-5-6-15)16(13-22)7-10-23/h11,15-16,23H,3-10,12-13H2,1-2H3/t16-/m0/s1
InChIKeyWNNDRBDOTOKAKU-INIZCTEOSA-N
MW318.47 g/mol
LogP2.02
Rot. Bonds7

About 2-[(2S)-1-(cyclopropylmethyl)-4-(6-methyl-2-propylpyrimidin-4-yl)piperazin-2-yl]ethanol

2-[(2S)-1-(cyclopropylmethyl)-4-(6-methyl-2-propylpyrimidin-4-yl)piperazin-2-yl]ethanol (PubChem CID 98741245) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is 2-[(2S)-1-(cyclopropylmethyl)-4-(6-methyl-2-propylpyrimidin-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-(cyclopropylmethyl)-4-(6-methyl-2-propylpyrimidin-4-yl)piperazin-2-yl]ethanol
PubChem CID98741245
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name2-[(2S)-1-(cyclopropylmethyl)-4-(6-methyl-2-propylpyrimidin-4-yl)piperazin-2-yl]ethanol
SMILESCCCc1nc(C)cc(N2CCN(CC3CC3)[C@@H](CCO)C2)n1
InChIInChI=1S/C18H30N4O/c1-3-4-17-19-14(2)11-18(20-17)22-9-8-21(12-15-5-6-15)16(13-22)7-10-23/h11,15-16,23H,3-10,12-13H2,1-2H3/t16-/m0/s1
InChIKeyWNNDRBDOTOKAKU-INIZCTEOSA-N
XLogP2.02
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(cyclopropylmethyl)-4-(6-methyl-2-propylpyrimidin-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-(cyclopropylmethyl)-4-(6-methyl-2-propylpyrimidin-4-yl)piperazin-2-yl]ethanol (CID 98741245) is 2-[(2S)-1-(cyclopropylmethyl)-4-(6-methyl-2-propylpyrimidin-4-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-(cyclopropylmethyl)-4-(6-methyl-2-propylpyrimidin-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-(cyclopropylmethyl)-4-(6-methyl-2-propylpyrimidin-4-yl)piperazin-2-yl]ethanol is CCCc1nc(C)cc(N2CCN(CC3CC3)[C@@H](CCO)C2)n1.
What is the InChIKey of 2-[(2S)-1-(cyclopropylmethyl)-4-(6-methyl-2-propylpyrimidin-4-yl)piperazin-2-yl]ethanol?
The InChIKey is WNNDRBDOTOKAKU-INIZCTEOSA-N. The full InChI is InChI=1S/C18H30N4O/c1-3-4-17-19-14(2)11-18(20-17)22-9-8-21(12-15-5-6-15)16(13-22)7-10-23/h11,15-16,23H,3-10,12-13H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-[(2S)-1-(cyclopropylmethyl)-4-(6-methyl-2-propylpyrimidin-4-yl)piperazin-2-yl]ethanol?
2-[(2S)-1-(cyclopropylmethyl)-4-(6-methyl-2-propylpyrimidin-4-yl)piperazin-2-yl]ethanol has a molecular weight of 318.47 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(cyclopropylmethyl)-4-(6-methyl-2-propylpyrimidin-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 98741245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).